N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide

C14H10Cl2FNOS — CID 107033961

IUPACN-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C14H10Cl2FNOS/c15-11-6-9(17)7-12(16)14(11)18-13(19)5-8-1-3-10(20)4-2-8/h1-4,6-7,20H,5H2,(H,18,19)
InChIKeyAKEKVGVQWRAXPV-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.60
Rot. Bonds3

About N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide

N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107033961) has the molecular formula C14H10Cl2FNOS and a molecular weight of 330.21 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107033961
Molecular FormulaC14H10Cl2FNOS
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C14H10Cl2FNOS/c15-11-6-9(17)7-12(16)14(11)18-13(19)5-8-1-3-10(20)4-2-8/h1-4,6-7,20H,5H2,(H,18,19)
InChIKeyAKEKVGVQWRAXPV-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107036138
2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide
CID 107028637
N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020559
N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107019725
N-(2,6-dichlorophenyl)-2-(3-fluorophenyl)acetamide
CID 92647585
N-(2,6-dichloro-4-fluorophenyl)-4-hydroxybutanamide
CID 83082072
2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 797745
N-(2,6-dichloro-4-fluorophenyl)-2-(ethylamino)acetamide
CID 83078558
N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107604233
N-[2,6-dichloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 130275796
2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 104570285
N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028667

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide (CID 107033961) is N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide is O=C(Cc1ccc(S)cc1)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is AKEKVGVQWRAXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNOS/c15-11-6-9(17)7-12(16)14(11)18-13(19)5-8-1-3-10(20)4-2-8/h1-4,6-7,20H,5H2,(H,18,19).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide?
N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 330.21 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107033961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).